N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline

C25H26F2N2 — CID 19772041

IUPACN-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NC(c2ccc(F)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H26F2N2/c26-22-8-6-20(7-9-22)25(28-24-12-10-23(27)11-13-24)21-14-16-29(17-15-21)18-19-4-2-1-3-5-19/h1-13,21,25,28H,14-18H2
InChIKeyWZKGFMNBCARJAB-UHFFFAOYSA-N
MW392.49 g/mol
LogP6.03
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline

N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline (PubChem CID 19772041) has the molecular formula C25H26F2N2 and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
PubChem CID19772041
Molecular FormulaC25H26F2N2
Molecular Weight392.49 g/mol
Exact Mass392.21
IUPAC NameN-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NC(c2ccc(F)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H26F2N2/c26-22-8-6-20(7-9-22)25(28-24-12-10-23(27)11-13-24)21-14-16-29(17-15-21)18-19-4-2-1-3-5-19/h1-13,21,25,28H,14-18H2
InChIKeyWZKGFMNBCARJAB-UHFFFAOYSA-N
XLogP6.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
(2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile
CID 129394599
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
3,4-difluoro-N-[(4-fluorophenyl)-[1-(quinolin-2-ylmethyl)piperidin-4-yl]methyl]aniline
CID 57063954
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
CID 19772037
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
CID 19771957
4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 19772106
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
[4-[(1-benzylpiperidin-4-yl)-(3-fluorophenyl)methyl]phenyl]carbamic acid
CID 23435913
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline (CID 19772041) is N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline is Fc1ccc(NC(c2ccc(F)cc2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline?
The InChIKey is WZKGFMNBCARJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2/c26-22-8-6-20(7-9-22)25(28-24-12-10-23(27)11-13-24)21-14-16-29(17-15-21)18-19-4-2-1-3-5-19/h1-13,21,25,28H,14-18H2.
What are the key properties of N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline?
N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline has a molecular weight of 392.49 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 19772041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).